Ontology highlight
ABSTRACT:
SUBMITTER: Ion BF
PROVIDER: S-EPMC3497308 | biostudies-literature | 2012
REPOSITORIES: biostudies-literature
International journal of molecular sciences 20121011 10
Ornithine cyclodeaminase (OCD) is an NAD+-dependent deaminase that is found in bacterial species such as Pseudomonas putida. Importantly, it catalyzes the direct conversion of the amino acid L-ornithine to L-proline. Using molecular dynamics (MD) and a hybrid quantum mechanics/molecular mechanics (QM/MM) method in the ONIOM formalism, the catalytic mechanism of OCD has been examined. The rate limiting step is calculated to be the initial step in the overall mechanism: hydride transfer from the L ...[more]